2-chloro-5-methylthiophene;5-methoxy-2-methylbenzenesulfonamide;6-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-4-amine;7-methylisoquinolin-4-amine;6-methylisoquinoline-1,3-diamine;7-methylisoquinoline-1,3-diamine;3-(2-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(4-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-4H-1,2,4-oxadiazol-5-one;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinolin-2-amine;7-methylquinolin-2-amine

C145H151ClN38O9S2 — CID 157324687

About 2-chloro-5-methylthiophene;5-methoxy-2-methylbenzenesulfonamide;6-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-4-amine;7-methylisoquinolin-4-amine;6-methylisoquinoline-1,3-diamine;7-methylisoquinoline-1,3-diamine;3-(2-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(4-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-4H-1,2,4-oxadiazol-5-one;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinolin-2-amine;7-methylquinolin-2-amine

2-chloro-5-methylthiophene;5-methoxy-2-methylbenzenesulfonamide;6-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-4-amine;7-methylisoquinolin-4-amine;6-methylisoquinoline-1,3-diamine;7-methylisoquinoline-1,3-diamine;3-(2-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(4-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-4H-1,2,4-oxadiazol-5-one;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinolin-2-amine;7-methylquinolin-2-amine (PubChem CID 157324687) has the molecular formula C145H151ClN38O9S2 and a molecular weight of 2669.65 g/mol. Its IUPAC name is 2-chloro-5-methylthiophene;5-methoxy-2-methylbenzenesulfonamide;6-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-4-amine;7-methylisoquinolin-4-amine;6-methylisoquinoline-1,3-diamine;7-methylisoquinoline-1,3-diamine;3-(2-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(4-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-4H-1,2,4-oxadiazol-5-one;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinolin-2-amine;7-methylquinolin-2-amine.

Molecular Properties

• Compound Name: 2-chloro-5-methylthiophene;5-methoxy-2-methylbenzenesulfonamide;6-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-4-amine;7-methylisoquinolin-4-amine;6-methylisoquinoline-1,3-diamine;7-methylisoquinoline-1,3-diamine;3-(2-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(4-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-4H-1,2,4-oxadiazol-5-one;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinolin-2-amine;7-methylquinolin-2-amine
• PubChem CID: 157324687
• Molecular Formula: C145H151ClN38O9S2
• Molecular Weight: 2669.65 g/mol
• Exact Mass: 2667.17
• IUPAC Name: 2-chloro-5-methylthiophene;5-methoxy-2-methylbenzenesulfonamide;6-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-4-amine;7-methylisoquinolin-4-amine;6-methylisoquinoline-1,3-diamine;7-methylisoquinoline-1,3-diamine;3-(2-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(4-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-4H-1,2,4-oxadiazol-5-one;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinolin-2-amine;7-methylquinolin-2-amine
• SMILES: COc1ccc(C)c(S(N)(=O)=O)c1.Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1.Cc1ccc(Cl)s1.Cc1ccc2c(N)cncc2c1.Cc1ccc2c(N)nc(N)cc2c1.Cc1ccc2c(N)nnc(N)c2c1.Cc1ccc2c(N)nncc2c1.Cc1ccc2c(c1)C(N)=NOC2.Cc1ccc2cc(N)nc(N)c2c1.Cc1ccc2ccc(N)nc2c1.Cc1ccc2cncc(N)c2c1.Cc1ccc2cnnc(N)c2c1.Cc1ccc2nc(N)ccc2c1.Cc1cccc(-c2n[nH]c(=O)[nH]2)c1.Cc1cccc(-c2noc(=O)[nH]2)c1.Cc1ccccc1-c1n[nH]c(=O)[nH]1
• InChI: InChI=1S/2C10H11N3.4C10H10N2.C9H10N4.3C9H9N3O.2C9H9N3.C9H8N2O2.C9H10N2O.C8H11NO3S.C5H5ClS/c1-6-2-3-8-7(4-6)5-9(11)13-10(8)12;1-6-2-3-7-5-9(11)13-10(12)8(7)4-6;1-7-2-4-9-8(6-7)3-5-10(11)12-9;1-7-2-3-9-8(4-7)5-12-6-10(9)11;1-7-2-3-8-5-12-6-10(11)9(8)4-7;1-7-2-3-8-4-5-10(11)12-9(8)6-7;1-5-2-3-6-7(4-5)9(11)13-12-8(6)10;1-6-2-4-7(5-3-6)8-10-9(13)12-11-8;1-6-3-2-4-7(5-6)8-10-9(13)12-11-8;1-6-4-2-3-5-7(6)8-10-9(13)12-11-8;1-6-2-3-8-7(4-6)5-11-12-9(8)10;1-6-2-3-7-5-11-12-9(10)8(7)4-6;1-6-3-2-4-7(5-6)8-10-9(12)13-11-8;1-6-2-3-7-5-12-11-9(10)8(7)4-6;1-6-3-4-7(12-2)5-8(6)13(9,10)11;1-4-2-3-5(6)7-4/h2*2-5H,1H3,(H4,11,12,13);2-6H,1H3,(H2,11,12);2*2-6H,11H2,1H3;2-6H,1H3,(H2,11,12);2-4H,1H3,(H2,10,12)(H2,11,13);3*2-5H,1H3,(H2,10,11,12,13);2*2-5H,1H3,(H2,10,12);2-5H,1H3,(H,10,11,12);2-4H,5H2,1H3,(H2,10,11);3-5H,1-2H3,(H2,9,10,11);2-3H,1H3
• InChIKey: BEOORDDYYKPLLK-UHFFFAOYSA-N
• XLogP: 25.13
• TPSA: 827.43 Ų
• H-Bond Donors: 21
• H-Bond Acceptors: 40
• Rotatable Bonds: 6
• Heavy Atoms: 195
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2669.65
LogP ≤ 5	25.13
H-Bond Donors ≤ 5	21
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methylthiophene;5-methoxy-2-methylbenzenesulfonamide;6-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-4-amine;7-methylisoquinolin-4-amine;6-methylisoquinoline-1,3-diamine;7-methylisoquinoline-1,3-diamine;3-(2-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(4-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-4H-1,2,4-oxadiazol-5-one;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinolin-2-amine;7-methylquinolin-2-amine?

The IUPAC name of 2-chloro-5-methylthiophene;5-methoxy-2-methylbenzenesulfonamide;6-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-4-amine;7-methylisoquinolin-4-amine;6-methylisoquinoline-1,3-diamine;7-methylisoquinoline-1,3-diamine;3-(2-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(4-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-4H-1,2,4-oxadiazol-5-one;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinolin-2-amine;7-methylquinolin-2-amine (CID 157324687) is 2-chloro-5-methylthiophene;5-methoxy-2-methylbenzenesulfonamide;6-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-4-amine;7-methylisoquinolin-4-amine;6-methylisoquinoline-1,3-diamine;7-methylisoquinoline-1,3-diamine;3-(2-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(4-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-4H-1,2,4-oxadiazol-5-one;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinolin-2-amine;7-methylquinolin-2-amine.

What is the SMILES notation for 2-chloro-5-methylthiophene;5-methoxy-2-methylbenzenesulfonamide;6-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-4-amine;7-methylisoquinolin-4-amine;6-methylisoquinoline-1,3-diamine;7-methylisoquinoline-1,3-diamine;3-(2-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(4-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-4H-1,2,4-oxadiazol-5-one;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinolin-2-amine;7-methylquinolin-2-amine?

The canonical SMILES for 2-chloro-5-methylthiophene;5-methoxy-2-methylbenzenesulfonamide;6-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-4-amine;7-methylisoquinolin-4-amine;6-methylisoquinoline-1,3-diamine;7-methylisoquinoline-1,3-diamine;3-(2-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(4-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-4H-1,2,4-oxadiazol-5-one;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinolin-2-amine;7-methylquinolin-2-amine is COc1ccc(C)c(S(N)(=O)=O)c1.Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1.Cc1ccc(Cl)s1.Cc1ccc2c(N)cncc2c1.Cc1ccc2c(N)nc(N)cc2c1.Cc1ccc2c(N)nnc(N)c2c1.Cc1ccc2c(N)nncc2c1.Cc1ccc2c(c1)C(N)=NOC2.Cc1ccc2cc(N)nc(N)c2c1.Cc1ccc2ccc(N)nc2c1.Cc1ccc2cncc(N)c2c1.Cc1ccc2cnnc(N)c2c1.Cc1ccc2nc(N)ccc2c1.Cc1cccc(-c2n[nH]c(=O)[nH]2)c1.Cc1cccc(-c2noc(=O)[nH]2)c1.Cc1ccccc1-c1n[nH]c(=O)[nH]1.

What is the InChIKey of 2-chloro-5-methylthiophene;5-methoxy-2-methylbenzenesulfonamide;6-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-4-amine;7-methylisoquinolin-4-amine;6-methylisoquinoline-1,3-diamine;7-methylisoquinoline-1,3-diamine;3-(2-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(4-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-4H-1,2,4-oxadiazol-5-one;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinolin-2-amine;7-methylquinolin-2-amine?

The InChIKey is BEOORDDYYKPLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H11N3.4C10H10N2.C9H10N4.3C9H9N3O.2C9H9N3.C9H8N2O2.C9H10N2O.C8H11NO3S.C5H5ClS/c1-6-2-3-8-7(4-6)5-9(11)13-10(8)12;1-6-2-3-7-5-9(11)13-10(12)8(7)4-6;1-7-2-4-9-8(6-7)3-5-10(11)12-9;1-7-2-3-9-8(4-7)5-12-6-10(9)11;1-7-2-3-8-5-12-6-10(11)9(8)4-7;1-7-2-3-8-4-5-10(11)12-9(8)6-7;1-5-2-3-6-7(4-5)9(11)13-12-8(6)10;1-6-2-4-7(5-3-6)8-10-9(13)12-11-8;1-6-3-2-4-7(5-6)8-10-9(13)12-11-8;1-6-4-2-3-5-7(6)8-10-9(13)12-11-8;1-6-2-3-8-7(4-6)5-11-12-9(8)10;1-6-2-3-7-5-11-12-9(10)8(7)4-6;1-6-3-2-4-7(5-6)8-10-9(12)13-11-8;1-6-2-3-7-5-12-11-9(10)8(7)4-6;1-6-3-4-7(12-2)5-8(6)13(9,10)11;1-4-2-3-5(6)7-4/h2*2-5H,1H3,(H4,11,12,13);2-6H,1H3,(H2,11,12);2*2-6H,11H2,1H3;2-6H,1H3,(H2,11,12);2-4H,1H3,(H2,10,12)(H2,11,13);3*2-5H,1H3,(H2,10,11,12,13);2*2-5H,1H3,(H2,10,12);2-5H,1H3,(H,10,11,12);2-4H,5H2,1H3,(H2,10,11);3-5H,1-2H3,(H2,9,10,11);2-3H,1H3.

What are the key properties of 2-chloro-5-methylthiophene;5-methoxy-2-methylbenzenesulfonamide;6-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-4-amine;7-methylisoquinolin-4-amine;6-methylisoquinoline-1,3-diamine;7-methylisoquinoline-1,3-diamine;3-(2-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(4-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-4H-1,2,4-oxadiazol-5-one;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinolin-2-amine;7-methylquinolin-2-amine?

2-chloro-5-methylthiophene;5-methoxy-2-methylbenzenesulfonamide;6-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-4-amine;7-methylisoquinolin-4-amine;6-methylisoquinoline-1,3-diamine;7-methylisoquinoline-1,3-diamine;3-(2-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(4-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-4H-1,2,4-oxadiazol-5-one;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinolin-2-amine;7-methylquinolin-2-amine has a molecular weight of 2669.65 g/mol, XLogP of 25.13, 6 rotatable bonds, 21 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-5-methylthiophene;5-methoxy-2-methylbenzenesulfonamide;6-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-4-amine;7-methylisoquinolin-4-amine;6-methylisoquinoline-1,3-diamine;7-methylisoquinoline-1,3-diamine;3-(2-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(4-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-4H-1,2,4-oxadiazol-5-one;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinolin-2-amine;7-methylquinolin-2-amine is sourced from PubChem (CID 157324687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).